Information card for entry 7039268

Structure parameters

• Formula: C26 H22 N4 O3 P2 S
• Calculated formula: C26 H22 N4 O3 P2 S
• SMILES: c1(nnc(N)s1)P(c1ccccc1)(c1ccccc1)=NP(=O)(Oc1ccccc1)Oc1ccccc1
• Title of publication: Thiazoyl phosphines. Design, reactivity, and complexation.
• Authors of publication: Zablocka, Maria; Oshovsky, Gennady; Duhayon, Carine; Ladeira, Sonia; Caminade, Anne-Marie; Mignani, Serge; Majoral, Jean-Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9695 - 9703
• a: 9.1492 ± 0.0003 Å
• b: 11.6047 ± 0.0004 Å
• c: 13.4675 ± 0.0005 Å
• α: 65.995 ± 0.001°
• β: 80.811 ± 0.001°
• γ: 73.753 ± 0.001°
• Cell volume: 1252.34 ± 0.08 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No